2-[phenylmethoxycarbonyl-[6-[phenylmethoxycarbonyl-(phenylmethyl)amino]hexyl]amino]ethanoic acid

Systemtic Name: 2-[phenylmethoxycarbonyl-[6-[phenylmethoxycarbonyl-(phenylmethyl)amino]hexyl]amino]ethanoic acid Openeye Name: 2-[6-[benzyl(benzyloxycarbonyl)amino]hexyl-benzyloxycarbonyl-amino]acetic acid CAS Name: 2-[phenylmethoxycarbonyl-[6-[phenylmethoxycarbonyl-(phenylmethyl)amino]hexyl]amino]acetic acid IUPAC Name: 2-[6-[benzyl(phenylmethoxycarbonyl)amino]hexyl-phenylmethoxycarbonylamino]acetic acid Traditional Name: 2-[6-[benzyl(carbobenzoxy)amino]hexyl-carbobenzoxy-amino]acetic acid Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCCCCN(CC(=O)O)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCCCCN(CC(=O)O)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H36N2O6/c34-29(35)23-33(31(37)39-25-28-18-10-5-11-19-28)21-13-2-1-12-20-32(22-26-14-6-3-7-15-26)30(36)38-24-27-16-8-4-9-17-27/h3-11,14-19H,1-2,12-13,20-25H2,(H,34,35)